8W6V
Structural basis of chorismate isomerization by Arabidopsis isochorismate synthase ICS1
Experimental procedure
| Experimental method | SINGLE WAVELENGTH |
| Source type | SYNCHROTRON |
| Source details | SSRF BEAMLINE BL19U1 |
| Synchrotron site | SSRF |
| Beamline | BL19U1 |
| Temperature [K] | 100 |
| Detector technology | PIXEL |
| Collection date | 2021-07-02 |
| Detector | DECTRIS PILATUS 6M |
| Wavelength(s) | 0.97852 |
| Spacegroup name | P 1 |
| Unit cell lengths | 57.228, 74.585, 103.869 |
| Unit cell angles | 70.65, 84.36, 89.79 |
Refinement procedure
| Resolution | 19.820 - 1.800 |
| R-factor | 0.1719 |
| Rwork | 0.172 |
| R-free | 0.19250 |
| Structure solution method | MOLECULAR REPLACEMENT |
| RMSD bond length | 0.007 |
| RMSD bond angle | 0.838 |
| Data reduction software | HKL-3000 |
| Data scaling software | HKL-3000 |
| Phasing software | PHENIX |
| Refinement software | PHENIX (1.15_3459) |
Data quality characteristics
| Overall | Outer shell | |
| Low resolution limit [Å] | 19.820 | 1.830 |
| High resolution limit [Å] | 1.800 | 1.800 |
| Rmerge | 0.065 | |
| Number of reflections | 144297 | 7079 |
| <I/σ(I)> | 12.2 | |
| Completeness [%] | 96.6 | |
| Redundancy | 3.5 | |
| CC(1/2) | 0.997 | 0.888 |
Crystallization Conditions
| crystal ID | method | pH | temperature | details |
| 1 | VAPOR DIFFUSION, HANGING DROP | 289 | 2.8M sodium formate, 0.08M sodium acetate trihydrate at pH 4.6, 0.08M sodium malonate at pH 6.0, 0.02M MES monohydrate at pH 6.0, 0.1% w/v Polyethylene glycol 10000 |
